N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine

C38H75N5 — CID 67680708

IUPACN-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
SMILESCCCCCCCCCCCCC(CN(C1CCN(C)CC1)C1CCN(C)CC1)(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C38H75N5/c1-6-7-8-9-10-11-12-13-14-15-24-38(34-16-25-39(2)26-17-34,35-18-27-40(3)28-19-35)33-43(36-20-29-41(4)30-21-36)37-22-31-42(5)32-23-37/h34-37H,6-33H2,1-5H3
InChIKeyJRUBWZWLZTVVED-UHFFFAOYSA-N
MW602.05 g/mol
LogP7.46
Rot. Bonds17

About N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine

N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine (PubChem CID 67680708) has the molecular formula C38H75N5 and a molecular weight of 602.05 g/mol. Its IUPAC name is N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
PubChem CID67680708
Molecular FormulaC38H75N5
Molecular Weight602.05 g/mol
Exact Mass601.60
IUPAC NameN-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
SMILESCCCCCCCCCCCCC(CN(C1CCN(C)CC1)C1CCN(C)CC1)(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C38H75N5/c1-6-7-8-9-10-11-12-13-14-15-24-38(34-16-25-39(2)26-17-34,35-18-27-40(3)28-19-35)33-43(36-20-29-41(4)30-21-36)37-22-31-42(5)32-23-37/h34-37H,6-33H2,1-5H3
InChIKeyJRUBWZWLZTVVED-UHFFFAOYSA-N
XLogP7.46
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.05
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4R,6S)-1,4-ditert-butyl-2-[[(2R,4S)-1-tert-butyl-4-methylpiperidin-2-yl]methyl]-6-[[(4S,6R)-1-tert-butyl-4-methyl-6-(trifluoromethyl)piperidin-2-yl]methyl]piperidine
CID 146656702
(6R)-1,4-ditert-butyl-2-[[(2S)-1,4-ditert-butyl-6-[[(2R)-1,4-ditert-butylpiperidin-2-yl]methyl]piperidin-2-yl]methyl]-6-(trifluoromethyl)piperidine
CID 146657050
1-Methyl-4-[6-(1-methylpiperidin-4-yl)-5-(4-propan-2-ylpiperazin-1-yl)-7-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]octan-2-yl]piperazine
CID 156160648
3-[(1-Fluorocyclopropyl)methyl]-9-methyl-11-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane
CID 170015859
9-[[3-[2-[4-Fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]propyl]-1-propan-2-ylpiperidin-4-yl]methyl]-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
CID 178790248
1,2,2,6,6-Pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine
CID 18691670
N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 21997325
N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 23218484
4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine
CID 56992487
N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 57105686
1,2,2,6,6-Pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine
CID 57161777
1-Methyl-4-[3,5,7-tris(1-methylpiperidin-4-yl)-1-adamantyl]piperidine
CID 60060475

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine (CID 67680708) is N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine is CCCCCCCCCCCCC(CN(C1CCN(C)CC1)C1CCN(C)CC1)(C1CCN(C)CC1)C1CCN(C)CC1.
What is the InChIKey of N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The InChIKey is JRUBWZWLZTVVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H75N5/c1-6-7-8-9-10-11-12-13-14-15-24-38(34-16-25-39(2)26-17-34,35-18-27-40(3)28-19-35)33-43(36-20-29-41(4)30-21-36)37-22-31-42(5)32-23-37/h34-37H,6-33H2,1-5H3.
What are the key properties of N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine has a molecular weight of 602.05 g/mol, XLogP of 7.46, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 67680708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).