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

C26H51N5 — CID 57105686

IUPACN-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
SMILESCN1CCC(C(CN(C2CCN(C)CC2)C2CCN(C)CC2)C2CCN(C)CC2)CC1
InChIInChI=1S/C26H51N5/c1-27-13-5-22(6-14-27)26(23-7-15-28(2)16-8-23)21-31(24-9-17-29(3)18-10-24)25-11-19-30(4)20-12-25/h22-26H,5-21H2,1-4H3
InChIKeyUQUVRBWEFOVRNH-UHFFFAOYSA-N
MW433.73 g/mol
LogP2.78
Rot. Bonds6

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

N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine (PubChem CID 57105686) has the molecular formula C26H51N5 and a molecular weight of 433.73 g/mol. Its IUPAC name is N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
PubChem CID57105686
Molecular FormulaC26H51N5
Molecular Weight433.73 g/mol
Exact Mass433.41
IUPAC NameN-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
SMILESCN1CCC(C(CN(C2CCN(C)CC2)C2CCN(C)CC2)C2CCN(C)CC2)CC1
InChIInChI=1S/C26H51N5/c1-27-13-5-22(6-14-27)26(23-7-15-28(2)16-8-23)21-31(24-9-17-29(3)18-10-24)25-11-19-30(4)20-12-25/h22-26H,5-21H2,1-4H3
InChIKeyUQUVRBWEFOVRNH-UHFFFAOYSA-N
XLogP2.78
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.73
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-Difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine
CID 145329471
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
3,3-Difluoro-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;3-methyl-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 178791275
1-Butan-2-yl-3,3-difluoro-4-methylpiperidine;1-methyl-4-propan-2-ylpiperidine;3-methyl-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 178791296
3-Methyl-1-[3-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)propyl]-1-azoniabicyclo[2.2.2]octane
CID 3062807
3-Methyl-1-[7-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)heptyl]-1-azoniabicyclo[2.2.2]octane
CID 3063634
3-Methyl-1-[6-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)hexyl]-1-azoniabicyclo[2.2.2]octane
CID 3063691
3-Methyl-1-[10-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)decyl]-1-azoniabicyclo[2.2.2]octane
CID 3064222
3-Methyl-1-[9-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)nonyl]-1-azoniabicyclo[2.2.2]octane
CID 3064269
9,10-Di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane
CID 18727328
N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 21997325

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine (CID 57105686) is N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine is CN1CCC(C(CN(C2CCN(C)CC2)C2CCN(C)CC2)C2CCN(C)CC2)CC1.
What is the InChIKey of N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The InChIKey is UQUVRBWEFOVRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N5/c1-27-13-5-22(6-14-27)26(23-7-15-28(2)16-8-23)21-31(24-9-17-29(3)18-10-24)25-11-19-30(4)20-12-25/h22-26H,5-21H2,1-4H3.
What are the key properties of N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine has a molecular weight of 433.73 g/mol, XLogP of 2.78, 6 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)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 57105686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).