N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline

C15H20N4 — CID 80554258

IUPACN-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline
SMILESc1cc(NCC2CCCNC2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C15H20N4/c1-4-13(15-6-8-18-19-15)9-14(5-1)17-11-12-3-2-7-16-10-12/h1,4-6,8-9,12,16-17H,2-3,7,10-11H2,(H,18,19)
InChIKeyBULAZOBHZKLGIE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.49
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline

N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline (PubChem CID 80554258) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline
PubChem CID80554258
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline
SMILESc1cc(NCC2CCCNC2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C15H20N4/c1-4-13(15-6-8-18-19-15)9-14(5-1)17-11-12-3-2-7-16-10-12/h1,4-6,8-9,12,16-17H,2-3,7,10-11H2,(H,18,19)
InChIKeyBULAZOBHZKLGIE-UHFFFAOYSA-N
XLogP2.49
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
CID 79730682
3-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020017
3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline
CID 80554256
3-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018540
N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 80553652
N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine
CID 43745342
N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119707800
2-[3-(piperidin-3-ylmethylamino)phenoxy]acetonitrile
CID 80554089
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 80554033
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
2-cyclopropyl-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 37044565

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline (CID 80554258) is N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline is c1cc(NCC2CCCNC2)cc(-c2ccn[nH]2)c1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is BULAZOBHZKLGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-13(15-6-8-18-19-15)9-14(5-1)17-11-12-3-2-7-16-10-12/h1,4-6,8-9,12,16-17H,2-3,7,10-11H2,(H,18,19).
What are the key properties of N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline?
N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 256.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 80554258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).