piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride

C12H16Cl2N2O2 — CID 53409799

IUPACpiperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCCNC1)c1cc(Cl)ccn1
InChIInChI=1S/C12H15ClN2O2.ClH/c13-10-3-5-15-11(6-10)12(16)17-8-9-2-1-4-14-7-9;/h3,5-6,9,14H,1-2,4,7-8H2;1H
InChIKeyWRPJRMAONZAMPW-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.31
Rot. Bonds3

About piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride

piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride (PubChem CID 53409799) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namepiperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride
PubChem CID53409799
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Namepiperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCCNC1)c1cc(Cl)ccn1
InChIInChI=1S/C12H15ClN2O2.ClH/c13-10-3-5-15-11(6-10)12(16)17-8-9-2-1-4-14-7-9;/h3,5-6,9,14H,1-2,4,7-8H2;1H
InChIKeyWRPJRMAONZAMPW-UHFFFAOYSA-N
XLogP2.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
CID 86319363
[(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
CID 86319361
cyclohexylmethyl 4-chloropyridine-2-carboxylate
CID 55032091
cyclopropylmethyl 4-chloropyridine-2-carboxylate
CID 63840175
pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride
CID 56829440
piperidin-3-ylmethyl benzoate
CID 53409803
2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
CID 97165742
methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate
CID 66287511
(cyclopropylmethylamino) 4-chloropyridine-2-carboxylate
CID 150438541
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate
CID 106643376
2-chloro-4-(piperidin-3-ylmethoxy)benzamide
CID 62944251

Frequently Asked Questions

What is the IUPAC name of piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride?
The IUPAC name of piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride (CID 53409799) is piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride.
What is the SMILES notation for piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride?
The canonical SMILES for piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride is Cl.O=C(OCC1CCCNC1)c1cc(Cl)ccn1.
What is the InChIKey of piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride?
The InChIKey is WRPJRMAONZAMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2.ClH/c13-10-3-5-15-11(6-10)12(16)17-8-9-2-1-4-14-7-9;/h3,5-6,9,14H,1-2,4,7-8H2;1H.
What are the key properties of piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride?
piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride has a molecular weight of 291.18 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 53409799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).