(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride

C11H17BrClN3 — CID 71636461

IUPAC(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
SMILESBrc1ccc(CN[C@H]2CCCNC2)cn1.Cl
InChIInChI=1S/C11H16BrN3.ClH/c12-11-4-3-9(7-15-11)6-14-10-2-1-5-13-8-10;/h3-4,7,10,13-14H,1-2,5-6,8H2;1H/t10-;/m0./s1
InChIKeyKMDLPHPEJCWVBB-PPHPATTJSA-N
MW306.63 g/mol
LogP2.11
Rot. Bonds3

About (3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride

(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride (PubChem CID 71636461) has the molecular formula C11H17BrClN3 and a molecular weight of 306.63 g/mol. Its IUPAC name is (3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
PubChem CID71636461
Molecular FormulaC11H17BrClN3
Molecular Weight306.63 g/mol
Exact Mass305.03
IUPAC Name(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
SMILESBrc1ccc(CN[C@H]2CCCNC2)cn1.Cl
InChIInChI=1S/C11H16BrN3.ClH/c12-11-4-3-9(7-15-11)6-14-10-2-1-5-13-8-10;/h3-4,7,10,13-14H,1-2,5-6,8H2;1H/t10-;/m0./s1
InChIKeyKMDLPHPEJCWVBB-PPHPATTJSA-N
XLogP2.11
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine
CID 71636466
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
CID 146014724
(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
CID 53256507
(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 53256527
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
(3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 71641689
N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine
CID 103982082
N-(thiophen-3-ylmethyl)piperidin-3-amine
CID 63248070
N-[[4-(methylsulfonylmethyl)phenyl]methyl]piperidin-3-amine
CID 138001952
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine
CID 131204068

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of (3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride (CID 71636461) is (3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride is Brc1ccc(CN[C@H]2CCCNC2)cn1.Cl.
What is the InChIKey of (3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride?
The InChIKey is KMDLPHPEJCWVBB-PPHPATTJSA-N. The full InChI is InChI=1S/C11H16BrN3.ClH/c12-11-4-3-9(7-15-11)6-14-10-2-1-5-13-8-10;/h3-4,7,10,13-14H,1-2,5-6,8H2;1H/t10-;/m0./s1.
What are the key properties of (3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride?
(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride has a molecular weight of 306.63 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 71636461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).