(3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine

C20H25N3O — CID 97349084

IUPAC(3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine
SMILESc1ccc(N[C@@H]2CCCN(c3cc(OCC4CC4)ccn3)C2)cc1
InChIInChI=1S/C20H25N3O/c1-2-5-17(6-3-1)22-18-7-4-12-23(14-18)20-13-19(10-11-21-20)24-15-16-8-9-16/h1-3,5-6,10-11,13,16,18,22H,4,7-9,12,14-15H2/t18-/m1/s1
InChIKeyKIISDFLMTOUXHE-GOSISDBHSA-N
MW323.44 g/mol
LogP3.95
Rot. Bonds6

About (3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine

(3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine (PubChem CID 97349084) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine
PubChem CID97349084
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine
SMILESc1ccc(N[C@@H]2CCCN(c3cc(OCC4CC4)ccn3)C2)cc1
InChIInChI=1S/C20H25N3O/c1-2-5-17(6-3-1)22-18-7-4-12-23(14-18)20-13-19(10-11-21-20)24-15-16-8-9-16/h1-3,5-6,10-11,13,16,18,22H,4,7-9,12,14-15H2/t18-/m1/s1
InChIKeyKIISDFLMTOUXHE-GOSISDBHSA-N
XLogP3.95
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290
(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine
CID 171084156
(3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
CID 95724010
N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine
CID 133301489
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile
CID 97082744
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile
CID 133363190
6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide
CID 97099971
1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine
CID 166212705
2-[3-(methoxymethyl)piperidin-1-yl]pyridin-4-amine
CID 106585882
2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine
CID 70780919

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine?
The IUPAC name of (3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine (CID 97349084) is (3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine?
The canonical SMILES for (3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine is c1ccc(N[C@@H]2CCCN(c3cc(OCC4CC4)ccn3)C2)cc1.
What is the InChIKey of (3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine?
The InChIKey is KIISDFLMTOUXHE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-5-17(6-3-1)22-18-7-4-12-23(14-18)20-13-19(10-11-21-20)24-15-16-8-9-16/h1-3,5-6,10-11,13,16,18,22H,4,7-9,12,14-15H2/t18-/m1/s1.
What are the key properties of (3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine?
(3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine has a molecular weight of 323.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine is sourced from PubChem (CID 97349084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).