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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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).