N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride

C21H46Cl2N2 — CID 11696932

IUPACN-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride
SMILESCCCCCCCCCCCCCCCNCC1CCNCC1.Cl.Cl
InChIInChI=1S/C21H44N2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-20-21-15-18-22-19-16-21;;/h21-23H,2-20H2,1H3;2*1H
InChIKeyBCVDHUISTVVKNS-UHFFFAOYSA-N
MW397.52 g/mol
LogP6.51
Rot. Bonds16

About N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride

N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride (PubChem CID 11696932) has the molecular formula C21H46Cl2N2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride
PubChem CID11696932
Molecular FormulaC21H46Cl2N2
Molecular Weight397.52 g/mol
Exact Mass396.30
IUPAC NameN-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride
SMILESCCCCCCCCCCCCCCCNCC1CCNCC1.Cl.Cl
InChIInChI=1S/C21H44N2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-20-21-15-18-22-19-16-21;;/h21-23H,2-20H2,1H3;2*1H
InChIKeyBCVDHUISTVVKNS-UHFFFAOYSA-N
XLogP6.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
N-(azetidin-3-ylmethyl)hexan-1-amine
CID 175786912
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
N-[(4-ethylcyclohexyl)methyl]decan-1-amine
CID 63492900
N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 83962890
N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79698915
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
N-(cyclopropylmethyl)-6-piperidin-4-yloxyhexan-1-amine
CID 69287990
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride?
The IUPAC name of N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride (CID 11696932) is N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride.
What is the SMILES notation for N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride?
The canonical SMILES for N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride is CCCCCCCCCCCCCCCNCC1CCNCC1.Cl.Cl.
What is the InChIKey of N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride?
The InChIKey is BCVDHUISTVVKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-20-21-15-18-22-19-16-21;;/h21-23H,2-20H2,1H3;2*1H.
What are the key properties of N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride?
N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride has a molecular weight of 397.52 g/mol, XLogP of 6.51, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride is sourced from PubChem (CID 11696932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).