N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine

C15H23N3 — CID 61015948

IUPACN-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine
SMILESc1cc(N2CCCC2)ccc1NC1CCNCC1
InChIInChI=1S/C15H23N3/c1-2-12-18(11-1)15-5-3-13(4-6-15)17-14-7-9-16-10-8-14/h3-6,14,16-17H,1-2,7-12H2
InChIKeyJDRHQBAMYNQCAT-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.45
Rot. Bonds3

About N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine

N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine (PubChem CID 61015948) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine
PubChem CID61015948
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine
SMILESc1cc(N2CCCC2)ccc1NC1CCNCC1
InChIInChI=1S/C15H23N3/c1-2-12-18(11-1)15-5-3-13(4-6-15)17-14-7-9-16-10-8-14/h3-6,14,16-17H,1-2,7-12H2
InChIKeyJDRHQBAMYNQCAT-UHFFFAOYSA-N
XLogP2.45
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.45
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-(4-piperidin-1-ylphenyl)thian-4-amine
CID 43715688
1-oxo-N-(4-pyrrolidin-1-ylphenyl)thian-4-amine
CID 54981528
4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline
CID 79708174
N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 79730271
N-(6-piperidin-1-yl-3-pyridinyl)azepan-4-amine
CID 103981148
1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine
CID 55139850
1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one
CID 103981052
N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline
CID 103561450
1,1-dioxo-N-(4-pyrrolidin-1-ylphenyl)thiolan-3-amine
CID 55025310
N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine
CID 54906609
trans-(1R,2R)-2-(4-piperidin-1-ylanilino)cyclopentan-1-ol
CID 102733438
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclopentan-1-ol
CID 102733437

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine (CID 61015948) is N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine is c1cc(N2CCCC2)ccc1NC1CCNCC1.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine?
The InChIKey is JDRHQBAMYNQCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-12-18(11-1)15-5-3-13(4-6-15)17-14-7-9-16-10-8-14/h3-6,14,16-17H,1-2,7-12H2.
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine?
N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine has a molecular weight of 245.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine is sourced from PubChem (CID 61015948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).