N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride

C19H27ClN4 — CID 119926338

IUPACN-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCl.c1ccc(-n2cc(CN3CCC(NCC4CC4)CC3)cn2)cc1
InChIInChI=1S/C19H26N4.ClH/c1-2-4-19(5-3-1)23-15-17(13-21-23)14-22-10-8-18(9-11-22)20-12-16-6-7-16;/h1-5,13,15-16,18,20H,6-12,14H2;1H
InChIKeyOWQGBTXFJLVXIW-UHFFFAOYSA-N
MW346.91 g/mol
LogP3.26
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride

N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 119926338) has the molecular formula C19H27ClN4 and a molecular weight of 346.91 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID119926338
Molecular FormulaC19H27ClN4
Molecular Weight346.91 g/mol
Exact Mass346.19
IUPAC NameN-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCl.c1ccc(-n2cc(CN3CCC(NCC4CC4)CC3)cn2)cc1
InChIInChI=1S/C19H26N4.ClH/c1-2-4-19(5-3-1)23-15-17(13-21-23)14-22-10-8-18(9-11-22)20-12-16-6-7-16;/h1-5,13,15-16,18,20H,6-12,14H2;1H
InChIKeyOWQGBTXFJLVXIW-UHFFFAOYSA-N
XLogP3.26
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.91
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride (CID 119926338) is N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride is Cl.c1ccc(-n2cc(CN3CCC(NCC4CC4)CC3)cn2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is OWQGBTXFJLVXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4.ClH/c1-2-4-19(5-3-1)23-15-17(13-21-23)14-22-10-8-18(9-11-22)20-12-16-6-7-16;/h1-5,13,15-16,18,20H,6-12,14H2;1H.
What are the key properties of N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride?
N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 346.91 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119926338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).