N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine

C32H64N4 — CID 57196218

IUPACN-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine
SMILESCCCCCCCCCCCCC(NC1CCN(C)CC1)C(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C32H64N4/c1-5-6-7-8-9-10-11-12-13-14-15-31(33-30-20-26-36(4)27-21-30)32(28-16-22-34(2)23-17-28)29-18-24-35(3)25-19-29/h28-33H,5-27H2,1-4H3
InChIKeyLMGVAFTVIMPQTC-UHFFFAOYSA-N
MW504.89 g/mol
LogP6.65
Rot. Bonds16

About N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine

N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine (PubChem CID 57196218) has the molecular formula C32H64N4 and a molecular weight of 504.89 g/mol. Its IUPAC name is N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine
PubChem CID57196218
Molecular FormulaC32H64N4
Molecular Weight504.89 g/mol
Exact Mass504.51
IUPAC NameN-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine
SMILESCCCCCCCCCCCCC(NC1CCN(C)CC1)C(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C32H64N4/c1-5-6-7-8-9-10-11-12-13-14-15-31(33-30-20-26-36(4)27-21-30)32(28-16-22-34(2)23-17-28)29-18-24-35(3)25-19-29/h28-33H,5-27H2,1-4H3
InChIKeyLMGVAFTVIMPQTC-UHFFFAOYSA-N
XLogP6.65
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.89
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine (CID 57196218) is N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine is CCCCCCCCCCCCC(NC1CCN(C)CC1)C(C1CCN(C)CC1)C1CCN(C)CC1.
What is the InChIKey of N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine?
The InChIKey is LMGVAFTVIMPQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N4/c1-5-6-7-8-9-10-11-12-13-14-15-31(33-30-20-26-36(4)27-21-30)32(28-16-22-34(2)23-17-28)29-18-24-35(3)25-19-29/h28-33H,5-27H2,1-4H3.
What are the key properties of N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine?
N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine has a molecular weight of 504.89 g/mol, XLogP of 6.65, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 57196218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).