N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline

C16H24N2 — CID 86338512

IUPACN-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline
SMILESc1ccc(N[C@@H]2CCC[C@@H]2N2CCCCC2)cc1
InChIInChI=1S/C16H24N2/c1-3-8-14(9-4-1)17-15-10-7-11-16(15)18-12-5-2-6-13-18/h1,3-4,8-9,15-17H,2,5-7,10-13H2/t15-,16+/m1/s1
InChIKeyVFIXTSQXHNWTRH-CVEARBPZSA-N
MW244.38 g/mol
LogP3.51
Rot. Bonds3

About N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline

N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline (PubChem CID 86338512) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline.

Molecular Properties

Compound NameN-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline
PubChem CID86338512
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline
SMILESc1ccc(N[C@@H]2CCC[C@@H]2N2CCCCC2)cc1
InChIInChI=1S/C16H24N2/c1-3-8-14(9-4-1)17-15-10-7-11-16(15)18-12-5-2-6-13-18/h1,3-4,8-9,15-17H,2,5-7,10-13H2/t15-,16+/m1/s1
InChIKeyVFIXTSQXHNWTRH-CVEARBPZSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline?
The IUPAC name of N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline (CID 86338512) is N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline.
What is the SMILES notation for N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline?
The canonical SMILES for N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline is c1ccc(N[C@@H]2CCC[C@@H]2N2CCCCC2)cc1.
What is the InChIKey of N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline?
The InChIKey is VFIXTSQXHNWTRH-CVEARBPZSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-8-14(9-4-1)17-15-10-7-11-16(15)18-12-5-2-6-13-18/h1,3-4,8-9,15-17H,2,5-7,10-13H2/t15-,16+/m1/s1.
What are the key properties of N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline?
N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline has a molecular weight of 244.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline is sourced from PubChem (CID 86338512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).