4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline

C17H27N3 — CID 79708174

IUPAC4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline
SMILESc1cc(N2CCCCC2)ccc1NCC1CCNCC1
InChIInChI=1S/C17H27N3/c1-2-12-20(13-3-1)17-6-4-16(5-7-17)19-14-15-8-10-18-11-9-15/h4-7,15,18-19H,1-3,8-14H2
InChIKeyASYMQRUDMOGNGK-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.09
Rot. Bonds4

About 4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline

4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline (PubChem CID 79708174) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline
PubChem CID79708174
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline
SMILESc1cc(N2CCCCC2)ccc1NCC1CCNCC1
InChIInChI=1S/C17H27N3/c1-2-12-20(13-3-1)17-6-4-16(5-7-17)19-14-15-8-10-18-11-9-15/h4-7,15,18-19H,1-3,8-14H2
InChIKeyASYMQRUDMOGNGK-UHFFFAOYSA-N
XLogP3.09
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline
CID 112719835
N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 112721147
3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 79707391
N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949888
[2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol
CID 83949101
N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine
CID 61015948
N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline
CID 112721998
N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939329
4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane
CID 144503666
4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
CID 79708402
6-morpholin-4-yl-N-(piperidin-4-ylmethyl)pyridin-3-amine
CID 79708177

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline (CID 79708174) is 4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline is c1cc(N2CCCCC2)ccc1NCC1CCNCC1.
What is the InChIKey of 4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is ASYMQRUDMOGNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-12-20(13-3-1)17-6-4-16(5-7-17)19-14-15-8-10-18-11-9-15/h4-7,15,18-19H,1-3,8-14H2.
What are the key properties of 4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline?
4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 273.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 79708174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).