N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine

C16H25N3 — CID 83007159

IUPACN-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine
SMILESc1cc(N2CCCC2)ccc1CNN1CCCCC1
InChIInChI=1S/C16H25N3/c1-2-12-19(13-3-1)17-14-15-6-8-16(9-7-15)18-10-4-5-11-18/h6-9,17H,1-5,10-14H2
InChIKeyDWKZSJCJIDHYRN-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.78
Rot. Bonds4

About N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine

N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine (PubChem CID 83007159) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine
PubChem CID83007159
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine
SMILESc1cc(N2CCCC2)ccc1CNN1CCCCC1
InChIInChI=1S/C16H25N3/c1-2-12-19(13-3-1)17-14-15-6-8-16(9-7-15)18-10-4-5-11-18/h6-9,17H,1-5,10-14H2
InChIKeyDWKZSJCJIDHYRN-UHFFFAOYSA-N
XLogP2.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine
CID 24896832
(4-pyrrolidin-1-ylphenyl)methylhydrazine
CID 22728051
N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine
CID 83006670
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-1-amine
CID 91170986
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 115614908
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784
2-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]propan-1-ol
CID 28725563

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine?
The IUPAC name of N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine (CID 83007159) is N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine.
What is the SMILES notation for N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine?
The canonical SMILES for N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine is c1cc(N2CCCC2)ccc1CNN1CCCCC1.
What is the InChIKey of N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine?
The InChIKey is DWKZSJCJIDHYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-12-19(13-3-1)17-14-15-6-8-16(9-7-15)18-10-4-5-11-18/h6-9,17H,1-5,10-14H2.
What are the key properties of N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine?
N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine has a molecular weight of 259.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine is sourced from PubChem (CID 83007159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).