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

C38H75N5 — CID 67680691

IUPACN-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
SMILESCCCCCCCCCCCCC(C(C1CCN(C)CC1)C1CCN(C)CC1)N(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C38H75N5/c1-6-7-8-9-10-11-12-13-14-15-16-37(38(33-17-25-39(2)26-18-33)34-19-27-40(3)28-20-34)43(35-21-29-41(4)30-22-35)36-23-31-42(5)32-24-36/h33-38H,6-32H2,1-5H3
InChIKeyKHUBWIMEGCREEJ-UHFFFAOYSA-N
MW602.05 g/mol
LogP7.46
Rot. Bonds17

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

N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine (PubChem CID 67680691) has the molecular formula C38H75N5 and a molecular weight of 602.05 g/mol. Its IUPAC name is N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
PubChem CID67680691
Molecular FormulaC38H75N5
Molecular Weight602.05 g/mol
Exact Mass601.60
IUPAC NameN-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
SMILESCCCCCCCCCCCCC(C(C1CCN(C)CC1)C1CCN(C)CC1)N(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C38H75N5/c1-6-7-8-9-10-11-12-13-14-15-16-37(38(33-17-25-39(2)26-18-33)34-19-27-40(3)28-20-34)43(35-21-29-41(4)30-22-35)36-23-31-42(5)32-24-36/h33-38H,6-32H2,1-5H3
InChIKeyKHUBWIMEGCREEJ-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

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CID 54501538

Frequently Asked Questions

What is the IUPAC name of N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine (CID 67680691) is N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine is CCCCCCCCCCCCC(C(C1CCN(C)CC1)C1CCN(C)CC1)N(C1CCN(C)CC1)C1CCN(C)CC1.
What is the InChIKey of N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The InChIKey is KHUBWIMEGCREEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H75N5/c1-6-7-8-9-10-11-12-13-14-15-16-37(38(33-17-25-39(2)26-18-33)34-19-27-40(3)28-20-34)43(35-21-29-41(4)30-22-35)36-23-31-42(5)32-24-36/h33-38H,6-32H2,1-5H3.
What are the key properties of N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-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-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 67680691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).