N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine

C17H28ClN3 — CID 103502958

IUPACN-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCC(C(C)C)CC2)c(Cl)c1
InChIInChI=1S/C17H28ClN3/c1-12(2)15-5-7-21(8-6-15)17-16(18)9-14(11-20-17)10-19-13(3)4/h9,11-13,15,19H,5-8,10H2,1-4H3
InChIKeyNZRUSIKVXVIMBT-UHFFFAOYSA-N
MW309.89 g/mol
LogP4.11
Rot. Bonds5

About N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 103502958) has the molecular formula C17H28ClN3 and a molecular weight of 309.89 g/mol. Its IUPAC name is N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID103502958
Molecular FormulaC17H28ClN3
Molecular Weight309.89 g/mol
Exact Mass309.20
IUPAC NameN-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCC(C(C)C)CC2)c(Cl)c1
InChIInChI=1S/C17H28ClN3/c1-12(2)15-5-7-21(8-6-15)17-16(18)9-14(11-20-17)10-19-13(3)4/h9,11-13,15,19H,5-8,10H2,1-4H3
InChIKeyNZRUSIKVXVIMBT-UHFFFAOYSA-N
XLogP4.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62930984
N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280716
N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62287828
N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62286936
1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
CID 62281867
N-[[5-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103499364
N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62490052
N-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62281197
1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine
CID 62282097
N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291329
N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80628155
N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62285951

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 103502958) is N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnc(N2CCC(C(C)C)CC2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is NZRUSIKVXVIMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-12(2)15-5-7-21(8-6-15)17-16(18)9-14(11-20-17)10-19-13(3)4/h9,11-13,15,19H,5-8,10H2,1-4H3.
What are the key properties of N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 309.89 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 103502958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).