N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine

C15H21Cl2N3 — CID 106994959

IUPACN-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine
SMILESClc1ccc(CN2CCC(NCC3CC3)CC2)c(Cl)n1
InChIInChI=1S/C15H21Cl2N3/c16-14-4-3-12(15(17)19-14)10-20-7-5-13(6-8-20)18-9-11-1-2-11/h3-4,11,13,18H,1-2,5-10H2
InChIKeyFRSHFPSSMZKMJD-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.35
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine (PubChem CID 106994959) has the molecular formula C15H21Cl2N3 and a molecular weight of 314.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine
PubChem CID106994959
Molecular FormulaC15H21Cl2N3
Molecular Weight314.26 g/mol
Exact Mass313.11
IUPAC NameN-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine
SMILESClc1ccc(CN2CCC(NCC3CC3)CC2)c(Cl)n1
InChIInChI=1S/C15H21Cl2N3/c16-14-4-3-12(15(17)19-14)10-20-7-5-13(6-8-20)18-9-11-1-2-11/h3-4,11,13,18H,1-2,5-10H2
InChIKeyFRSHFPSSMZKMJD-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 106993477
1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 120841434
(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 106993824
1-[(2,6-dichloro-3-pyridinyl)methyl]-4-methylazepane
CID 106993775
3-chloro-4-[[4-(cyclopropylmethylamino)piperidin-1-yl]methyl]benzonitrile
CID 102669337
1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 104969517
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 55090709
N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
CID 115306881
N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine
CID 104869676
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926316
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 104973803

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine (CID 106994959) is N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine is Clc1ccc(CN2CCC(NCC3CC3)CC2)c(Cl)n1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine?
The InChIKey is FRSHFPSSMZKMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3/c16-14-4-3-12(15(17)19-14)10-20-7-5-13(6-8-20)18-9-11-1-2-11/h3-4,11,13,18H,1-2,5-10H2.
What are the key properties of N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine has a molecular weight of 314.26 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine is sourced from PubChem (CID 106994959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).