1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine

C17H29N3O — CID 95230119

IUPAC1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine
SMILESCC(C)CN1CCC(NC[C@H](C)Oc2cccnc2)CC1
InChIInChI=1S/C17H29N3O/c1-14(2)13-20-9-6-16(7-10-20)19-11-15(3)21-17-5-4-8-18-12-17/h4-5,8,12,14-16,19H,6-7,9-11,13H2,1-3H3/t15-/m0/s1
InChIKeyUTMDCNHXFCRCAK-HNNXBMFYSA-N
MW291.44 g/mol
LogP2.56
Rot. Bonds7

About 1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine

1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine (PubChem CID 95230119) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine
PubChem CID95230119
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine
SMILESCC(C)CN1CCC(NC[C@H](C)Oc2cccnc2)CC1
InChIInChI=1S/C17H29N3O/c1-14(2)13-20-9-6-16(7-10-20)19-11-15(3)21-17-5-4-8-18-12-17/h4-5,8,12,14-16,19H,6-7,9-11,13H2,1-3H3/t15-/m0/s1
InChIKeyUTMDCNHXFCRCAK-HNNXBMFYSA-N
XLogP2.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine (CID 95230119) is 1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine is CC(C)CN1CCC(NC[C@H](C)Oc2cccnc2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine?
The InChIKey is UTMDCNHXFCRCAK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(2)13-20-9-6-16(7-10-20)19-11-15(3)21-17-5-4-8-18-12-17/h4-5,8,12,14-16,19H,6-7,9-11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine?
1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine is sourced from PubChem (CID 95230119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).