N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine

C18H30N4 — CID 24896832

IUPACN-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine
SMILESc1cc(CNN2CCCCC2)ccc1CNN1CCCCC1
InChIInChI=1S/C18H30N4/c1-3-11-21(12-4-1)19-15-17-7-9-18(10-8-17)16-20-22-13-5-2-6-14-22/h7-10,19-20H,1-6,11-16H2
InChIKeyRHUDFLOBPIGZGK-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.67
Rot. Bonds6

About N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine

N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine (PubChem CID 24896832) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine
PubChem CID24896832
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine
SMILESc1cc(CNN2CCCCC2)ccc1CNN1CCCCC1
InChIInChI=1S/C18H30N4/c1-3-11-21(12-4-1)19-15-17-7-9-18(10-8-17)16-20-22-13-5-2-6-14-22/h7-10,19-20H,1-6,11-16H2
InChIKeyRHUDFLOBPIGZGK-UHFFFAOYSA-N
XLogP2.67
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine
CID 83007159
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-1-amine
CID 91170986
N-[[4-(1-phenylethenyl)phenyl]methyl]azepan-1-amine
CID 150461951
N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine
CID 83006670
N-[(1-methylpyrrol-3-yl)methyl]piperidin-1-amine
CID 83007646
[5-[(piperidin-1-ylamino)methyl]furan-2-yl]methanol
CID 83007473
2-methyl-3-[4-[(pyrrolidin-1-ylamino)methyl]phenyl]prop-2-enoic acid
CID 150716646
4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine
CID 80503110
N-[(4-iodophenyl)methyl]morpholin-4-amine
CID 83022461
N-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83013968
N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine
CID 83007735
3-fluoro-5-[(piperidin-1-ylamino)methyl]benzonitrile
CID 83013871

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine?
The IUPAC name of N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine (CID 24896832) is N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine.
What is the SMILES notation for N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine?
The canonical SMILES for N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine is c1cc(CNN2CCCCC2)ccc1CNN1CCCCC1.
What is the InChIKey of N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine?
The InChIKey is RHUDFLOBPIGZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-3-11-21(12-4-1)19-15-17-7-9-18(10-8-17)16-20-22-13-5-2-6-14-22/h7-10,19-20H,1-6,11-16H2.
What are the key properties of N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine?
N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine has a molecular weight of 302.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine is sourced from PubChem (CID 24896832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).