(3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine

C19H29N5O — CID 124622673

IUPAC(3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine
SMILESCOc1cccc(N2CCC[C@H](NCc3cn(C(C)(C)C)nn3)C2)c1
InChIInChI=1S/C19H29N5O/c1-19(2,3)24-14-16(21-22-24)12-20-15-7-6-10-23(13-15)17-8-5-9-18(11-17)25-4/h5,8-9,11,14-15,20H,6-7,10,12-13H2,1-4H3/t15-/m0/s1
InChIKeyBBKNHKFTWQAZNH-HNNXBMFYSA-N
MW343.48 g/mol
LogP2.80
Rot. Bonds5

About (3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine

(3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine (PubChem CID 124622673) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is (3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine
PubChem CID124622673
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name(3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine
SMILESCOc1cccc(N2CCC[C@H](NCc3cn(C(C)(C)C)nn3)C2)c1
InChIInChI=1S/C19H29N5O/c1-19(2,3)24-14-16(21-22-24)12-20-15-7-6-10-23(13-15)17-8-5-9-18(11-17)25-4/h5,8-9,11,14-15,20H,6-7,10,12-13H2,1-4H3/t15-/m0/s1
InChIKeyBBKNHKFTWQAZNH-HNNXBMFYSA-N
XLogP2.80
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 56791986
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053861
N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 136569003
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-2-(3-methyl-4-pyridinyl)acetamide
CID 124618191
N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103399050
2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004204
(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 124680879
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
1-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119155209
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045757

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine?
The IUPAC name of (3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine (CID 124622673) is (3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine?
The canonical SMILES for (3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine is COc1cccc(N2CCC[C@H](NCc3cn(C(C)(C)C)nn3)C2)c1.
What is the InChIKey of (3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine?
The InChIKey is BBKNHKFTWQAZNH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-19(2,3)24-14-16(21-22-24)12-20-15-7-6-10-23(13-15)17-8-5-9-18(11-17)25-4/h5,8-9,11,14-15,20H,6-7,10,12-13H2,1-4H3/t15-/m0/s1.
What are the key properties of (3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine?
(3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine has a molecular weight of 343.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-3-amine is sourced from PubChem (CID 124622673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).