(3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride

C10H16Cl2N4 — CID 71640488

IUPAC(3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride
SMILESCl.Clc1nccc(CN[C@@H]2CCCNC2)n1
InChIInChI=1S/C10H15ClN4.ClH/c11-10-13-5-3-9(15-10)7-14-8-2-1-4-12-6-8;/h3,5,8,12,14H,1-2,4,6-7H2;1H/t8-;/m1./s1
InChIKeyNSSOWSUKBPWPHO-DDWIOCJRSA-N
MW263.17 g/mol
LogP1.39
Rot. Bonds3

About (3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride

(3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride (PubChem CID 71640488) has the molecular formula C10H16Cl2N4 and a molecular weight of 263.17 g/mol. Its IUPAC name is (3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride
PubChem CID71640488
Molecular FormulaC10H16Cl2N4
Molecular Weight263.17 g/mol
Exact Mass262.08
IUPAC Name(3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride
SMILESCl.Clc1nccc(CN[C@@H]2CCCNC2)n1
InChIInChI=1S/C10H15ClN4.ClH/c11-10-13-5-3-9(15-10)7-14-8-2-1-4-12-6-8;/h3,5,8,12,14H,1-2,4,6-7H2;1H/t8-;/m1./s1
InChIKeyNSSOWSUKBPWPHO-DDWIOCJRSA-N
XLogP1.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 71640491
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063
(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
CID 53256507
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine
CID 71641741
2-chloro-4-[2-[(3S)-piperidin-3-yl]ethoxymethyl]pyrimidine
CID 97163935
(3R)-N-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 71636732
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
cis-(1R,2S)-2-N-[(2-chloropyrimidin-4-yl)methyl]cyclohexane-1,2-diamine
CID 97165306
(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 53256527
(3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71640607
(3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636752
4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 71640268

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride (CID 71640488) is (3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride is Cl.Clc1nccc(CN[C@@H]2CCCNC2)n1.
What is the InChIKey of (3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride?
The InChIKey is NSSOWSUKBPWPHO-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H15ClN4.ClH/c11-10-13-5-3-9(15-10)7-14-8-2-1-4-12-6-8;/h3,5,8,12,14H,1-2,4,6-7H2;1H/t8-;/m1./s1.
What are the key properties of (3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride?
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride has a molecular weight of 263.17 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 71640488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).