4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine

C22H29FN4 — CID 171540304

IUPAC4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
SMILESFc1cccc(N2CCC[C@@H](Nc3cc(N4CCCCCC4)ccn3)C2)c1
InChIInChI=1S/C22H29FN4/c23-18-7-5-9-20(15-18)27-14-6-8-19(17-27)25-22-16-21(10-11-24-22)26-12-3-1-2-4-13-26/h5,7,9-11,15-16,19H,1-4,6,8,12-14,17H2,(H,24,25)/t19-/m1/s1
InChIKeyVVPPLHANFZSGHF-LJQANCHMSA-N
MW368.50 g/mol
LogP4.68
Rot. Bonds4

About 4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine

4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine (PubChem CID 171540304) has the molecular formula C22H29FN4 and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
PubChem CID171540304
Molecular FormulaC22H29FN4
Molecular Weight368.50 g/mol
Exact Mass368.24
IUPAC Name4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
SMILESFc1cccc(N2CCC[C@@H](Nc3cc(N4CCCCCC4)ccn3)C2)c1
InChIInChI=1S/C22H29FN4/c23-18-7-5-9-20(15-18)27-14-6-8-19(17-27)25-22-16-21(10-11-24-22)26-12-3-1-2-4-13-26/h5,7,9-11,15-16,19H,1-4,6,8,12-14,17H2,(H,24,25)/t19-/m1/s1
InChIKeyVVPPLHANFZSGHF-LJQANCHMSA-N
XLogP4.68
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine (CID 171540304) is 4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine is Fc1cccc(N2CCC[C@@H](Nc3cc(N4CCCCCC4)ccn3)C2)c1.
What is the InChIKey of 4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine?
The InChIKey is VVPPLHANFZSGHF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29FN4/c23-18-7-5-9-20(15-18)27-14-6-8-19(17-27)25-22-16-21(10-11-24-22)26-12-3-1-2-4-13-26/h5,7,9-11,15-16,19H,1-4,6,8,12-14,17H2,(H,24,25)/t19-/m1/s1.
What are the key properties of 4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine?
4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine has a molecular weight of 368.50 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 171540304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).