(1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate

C14H18N2O2 — CID 166270436

IUPAC(1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate
SMILESO=C(OC1CCCN(c2ccccn2)C1)C1CC1
InChIInChI=1S/C14H18N2O2/c17-14(11-6-7-11)18-12-4-3-9-16(10-12)13-5-1-2-8-15-13/h1-2,5,8,11-12H,3-4,6-7,9-10H2
InChIKeyHNHAIDMFVBFQRU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.00
Rot. Bonds3

About (1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate

(1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate (PubChem CID 166270436) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate
PubChem CID166270436
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate
SMILESO=C(OC1CCCN(c2ccccn2)C1)C1CC1
InChIInChI=1S/C14H18N2O2/c17-14(11-6-7-11)18-12-4-3-9-16(10-12)13-5-1-2-8-15-13/h1-2,5,8,11-12H,3-4,6-7,9-10H2
InChIKeyHNHAIDMFVBFQRU-UHFFFAOYSA-N
XLogP2.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
(3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 95204110
1-pyridin-2-ylpiperidine-3-carbaldehyde
CID 62664160
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95583542
3-phenoxy-N-(1-pyridin-2-ylpiperidin-3-yl)propanamide
CID 110107081
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
(4-methylsulfonyl-1,4-diazepan-1-yl)-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 97433997
(3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 26355288
(3R)-N-(3,5-dimethylphenyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 51962224

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate?
The IUPAC name of (1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate (CID 166270436) is (1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate.
What is the SMILES notation for (1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate?
The canonical SMILES for (1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate is O=C(OC1CCCN(c2ccccn2)C1)C1CC1.
What is the InChIKey of (1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate?
The InChIKey is HNHAIDMFVBFQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(11-6-7-11)18-12-4-3-9-16(10-12)13-5-1-2-8-15-13/h1-2,5,8,11-12H,3-4,6-7,9-10H2.
What are the key properties of (1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate?
(1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate is sourced from PubChem (CID 166270436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).